3-(1-aminopropylideneamino)-N-propylpropanamide

C9H19N3O — CID 63177765

IUPAC3-(1-aminopropylideneamino)-N-propylpropanamide
SMILESCCCNC(=O)CC/N=C(/N)CC
InChIInChI=1S/C9H19N3O/c1-3-6-12-9(13)5-7-11-8(10)4-2/h3-7H2,1-2H3,(H2,10,11)(H,12,13)
InChIKeyTZYBCANLBKGVDJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.67
Rot. Bonds6

About 3-(1-aminopropylideneamino)-N-propylpropanamide

3-(1-aminopropylideneamino)-N-propylpropanamide (PubChem CID 63177765) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(1-aminopropylideneamino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(1-aminopropylideneamino)-N-propylpropanamide
PubChem CID63177765
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(1-aminopropylideneamino)-N-propylpropanamide
SMILESCCCNC(=O)CC/N=C(/N)CC
InChIInChI=1S/C9H19N3O/c1-3-6-12-9(13)5-7-11-8(10)4-2/h3-7H2,1-2H3,(H2,10,11)(H,12,13)
InChIKeyTZYBCANLBKGVDJ-UHFFFAOYSA-N
XLogP0.67
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropylideneamino)-N-propylpropanamide?
The IUPAC name of 3-(1-aminopropylideneamino)-N-propylpropanamide (CID 63177765) is 3-(1-aminopropylideneamino)-N-propylpropanamide.
What is the SMILES notation for 3-(1-aminopropylideneamino)-N-propylpropanamide?
The canonical SMILES for 3-(1-aminopropylideneamino)-N-propylpropanamide is CCCNC(=O)CC/N=C(/N)CC.
What is the InChIKey of 3-(1-aminopropylideneamino)-N-propylpropanamide?
The InChIKey is TZYBCANLBKGVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-6-12-9(13)5-7-11-8(10)4-2/h3-7H2,1-2H3,(H2,10,11)(H,12,13).
What are the key properties of 3-(1-aminopropylideneamino)-N-propylpropanamide?
3-(1-aminopropylideneamino)-N-propylpropanamide has a molecular weight of 185.27 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropylideneamino)-N-propylpropanamide is sourced from PubChem (CID 63177765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).